1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

Systemtic Name: 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Openeye Name: 1-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane CAS Name: 1-[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]azepane IUPAC Name: 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Traditional Name: 1-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane Formula: C15H16F3N3O MolecularWeight: 311.30225

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C15H16F3N3O/c16-15(17,18)13-10-11(12-6-5-9-22-12)19-14(20-13)21-7-3-1-2-4-8-21/h5-6,9-10H,1-4,7-8H2